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Flutiazin

HCID 23647
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Basic information

CAS
7220-56-6
Standard SMILES
O=C(O)c1cccc2c1Nc1cc(C(F)(F)F)ccc1S2
InChIKey
WXIGSVFQTLVMQM-UHFFFAOYSA-N
Molecular formula
C14H8F3NO2S
Average molar mass
311.28 g/mol
Monoisotopic mass
311.02278416

Overview

Flutiazin is a small molecule drug. Flutiazin has a monoisotopic molecular weight of 311.02 Da.

Names & identifiers

Preferred name
Flutiazin
IUPAC
8-(trifluoromethyl)-10H-phenothiazine-1-carboxylic acid
English name
Flutiazin
Molecular formula
C14H8F3NO2S
Molecular weight
311.28

Names & synonyms

FLUTIAZIN7220-56-68-(trifluoromethyl)-10H-phenothiazine-1-carboxylic acid10H-Phenothiazine-1-carboxylic acid, 8-(trifluoromethyl)-8VNN85Y88410H-Phenothiazine-1-carboxylicacid, 8-(trifluoromethyl)-8-(Trifluoromethyl)phenothiazine-1-carboxylic acidFlutiazin [USAN:INN]FlutiazinaFlutiazineUNII-8VNN85Y884FLUTIAZIN [INN]
Show more names
Flutiazin USP/EP/BP
Flutiazin (USAN/INN)FLUTIAZIN [USAN]SCHEMBL193601CHEMBL2105105SCHEMBL29394002BDBM35886DTXSID102225348-trifluoromethylphenothiazine-1-carboxylic

Database identifiers

CAS
7220-56-6
PubChem CID
23647
DTXSID
DTXSID10222534
ChEMBL
CHEMBL2105105
UNII
8VNN85Y884
Nikkaji
J8.911G

Properties

Computed structural properties

XLogP
4
Topological polar surface area
74.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
1
Heavy atoms
21
Formal charge
0
Complexity
418

Physicochemical properties

Melting point
238 · 238-240 °C
Boiling point
455.7 · 455.7±45.0 °C(Predicted)
Density
1.499 · 1.499±0.06 g/cm3(Predicted)
pka
3.39 · 3.39±0.20(Predicted)
FDA UNII
8 VNN85Y884 · 8VNN85Y884

Chemistry & industry

Applications

UsesAnti-inflammatory (veterinary).

Related reactions

3 records
New reaction record
HRID 198134 reaction equation
HRID 198134As productAs reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 665003 reaction equation
HRID 665003As productAs reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1658057 reaction equation
HRID 1658057As reactantuspto-grants-1976_06

Compound notes

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